3-amino-N-(2-bromo-4,6-difluorophenyl)-4-fluorobenzenesulfonamide

C12H8BrF3N2O2S — CID 43168233

IUPAC3-amino-N-(2-bromo-4,6-difluorophenyl)-4-fluorobenzenesulfonamide
SMILESNc1cc(S(=O)(=O)Nc2c(F)cc(F)cc2Br)ccc1F
InChIInChI=1S/C12H8BrF3N2O2S/c13-8-3-6(14)4-10(16)12(8)18-21(19,20)7-1-2-9(15)11(17)5-7/h1-5,18H,17H2
InChIKeySGVLXLHHLHCPPR-UHFFFAOYSA-N
MW381.17 g/mol
LogP3.25
Rot. Bonds3

About 3-amino-N-(2-bromo-4,6-difluorophenyl)-4-fluorobenzenesulfonamide

3-amino-N-(2-bromo-4,6-difluorophenyl)-4-fluorobenzenesulfonamide (PubChem CID 43168233) has the molecular formula C12H8BrF3N2O2S and a molecular weight of 381.17 g/mol. Its IUPAC name is 3-amino-N-(2-bromo-4,6-difluorophenyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(2-bromo-4,6-difluorophenyl)-4-fluorobenzenesulfonamide
PubChem CID43168233
Molecular FormulaC12H8BrF3N2O2S
Molecular Weight381.17 g/mol
Exact Mass379.94
IUPAC Name3-amino-N-(2-bromo-4,6-difluorophenyl)-4-fluorobenzenesulfonamide
SMILESNc1cc(S(=O)(=O)Nc2c(F)cc(F)cc2Br)ccc1F
InChIInChI=1S/C12H8BrF3N2O2S/c13-8-3-6(14)4-10(16)12(8)18-21(19,20)7-1-2-9(15)11(17)5-7/h1-5,18H,17H2
InChIKeySGVLXLHHLHCPPR-UHFFFAOYSA-N
XLogP3.25
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.17
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(2-bromo-4,6-difluorophenyl)-4-chlorobenzenesulfonamide
CID 43347515
3-amino-N-(2-bromo-4,6-difluorophenyl)-5-fluorobenzenesulfonamide
CID 63322042
N-(2-amino-4,6-difluorophenyl)-3,4-difluorobenzenesulfonamide
CID 81305049
N-(2-amino-4,6-dibromophenyl)-3,4-difluorobenzenesulfonamide
CID 43550660
N-(2-bromo-4,6-difluorophenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629170
5-amino-2-bromo-N-(2-bromo-4,6-difluorophenyl)benzenesulfonamide
CID 65201956
3-amino-N-(2-bromo-5-chlorophenyl)-4-fluorobenzenesulfonamide
CID 81262729
N-(2-amino-4,6-difluorophenyl)-4-fluorobenzenesulfonamide
CID 81314823
2-amino-N-(2-bromo-4,6-difluorophenyl)-6-methylbenzenesulfonamide
CID 43452545
3-amino-N-(3-bromo-5-methylphenyl)-4-fluorobenzenesulfonamide
CID 107581716
N-(2-bromo-4,6-difluorophenyl)-2,6-dichlorobenzenesulfonamide
CID 112769161
3-amino-4-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 29298458

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-bromo-4,6-difluorophenyl)-4-fluorobenzenesulfonamide?
The IUPAC name of 3-amino-N-(2-bromo-4,6-difluorophenyl)-4-fluorobenzenesulfonamide (CID 43168233) is 3-amino-N-(2-bromo-4,6-difluorophenyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(2-bromo-4,6-difluorophenyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for 3-amino-N-(2-bromo-4,6-difluorophenyl)-4-fluorobenzenesulfonamide is Nc1cc(S(=O)(=O)Nc2c(F)cc(F)cc2Br)ccc1F.
What is the InChIKey of 3-amino-N-(2-bromo-4,6-difluorophenyl)-4-fluorobenzenesulfonamide?
The InChIKey is SGVLXLHHLHCPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF3N2O2S/c13-8-3-6(14)4-10(16)12(8)18-21(19,20)7-1-2-9(15)11(17)5-7/h1-5,18H,17H2.
What are the key properties of 3-amino-N-(2-bromo-4,6-difluorophenyl)-4-fluorobenzenesulfonamide?
3-amino-N-(2-bromo-4,6-difluorophenyl)-4-fluorobenzenesulfonamide has a molecular weight of 381.17 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-bromo-4,6-difluorophenyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 43168233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).